3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]propanenitrile

Systemtic Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]propanenitrile Openeye Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]propanenitrile CAS Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]propanenitrile IUPAC Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]propanenitrile Traditional Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]propionitrile Formula: C44H56N7O6P MolecularWeight: 809.932501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(CCC#N)N(C(C)C)C(C)C

Isomeric SMILES

CC(C)CNC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(CCC#N)N(C(C)C)C(C)C

InChI

InChI=1S/C44H56N7O6P/c1-29(2)26-46-43-48-41-40(42(52)49-43)47-28-50(41)39-25-37(57-58(24-12-23-45)51(30(3)4)31(5)6)38(56-39)27-55-44(32-13-10-9-11-14-32,33-15-19-35(53-7)20-16-33)34-17-21-36(54-8)22-18-34/h9-11,13-22,28-31,37-39H,12,24-27H2,1-8H3,(H2,46,48,49,52)/t37-,38+,39+,58?/m0/s1